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5,9-Methano-5H-benzocycloheptene, propanedioic acid deriv.
SpectraBase Compound ID CdleZHYhPrT
InChI InChI=1S/C20H24O5/c1-3-24-19(22)18(20(23)25-4-2)11-17-15-9-12(21)10-16(17)14-8-6-5-7-13(14)15/h5-8,15-18H,3-4,9-11H2,1-2H3/t15-,16+,17?
InChIKey HCGYJQBUWDEVBA-SJPCQFCGSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QckkAKflw
Name 5,9-Methano-5H-benzocycloheptene, propanedioic acid deriv.
Alternate Name(s) Propanedioic acid, [(6,7,8,9-tetrahydro-7-oxo-5,9-methano-5H-benzocyclohepten-10-yl)methyl]-, diethyl ester, stereoisomer Diethyl 2-[(10-oxotricyclo[6.3.1.0(2,7)]dodeca-2,4,6-trien-12-yl)methyl]malonate Ethyl 6,7,8,9-tetrahydro-7-oxo-5,9-methano-5H-benzocyclohepten-anti-10-[2-(ethoxycarbonyl)-propanoate
CAS Registry Number 101542-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-3-24-19(22)18(20(23)25-4-2)11-17-15-9-12(21)10-16(17)14-8-6-5-7-13(14)15/h5-8,15-18H,3-4,9-11H2,1-2H3/t15-,16+,17?
InChIKey HCGYJQBUWDEVBA-SJPCQFCGSA-N
Molecular Weight 344.407 g/mol
SMILES C1([C@@]2(c3ccccc3[C@]1(CC(=O)C2)[H])[H])CC(C(=O)OCC)C(=O)OCC
SPLASH splash10-0036-2900000000-d71f3410ef6a317594e5
Source of Spectrum K-119-1973-0
Wiley ID 1338013